LAMMPS (27 Nov 2018)
  using 1 OpenMP thread(s) per MPI task
# Pure Si crystal, structure created by LAMMPS, qeq off

units		metal
atom_style	charge
dimension       3
boundary        p p p

lattice  	diamond 5.43
Lattice spacing in x,y,z = 5.43 5.43 5.43
region		box block 0 4 0 4 0 4
create_box	1 box
Created orthogonal box = (0 0 0) to (21.72 21.72 21.72)
  1 by 2 by 2 MPI processor grid
create_atoms	1 box
Created 512 atoms
  Time spent = 0.000349522 secs
mass		1 29.0

pair_style	comb
pair_coeff	* * ffield.comb Si
Reading potential file ffield.comb with DATE: 2011-02-22

neighbor	0.5 bin
neigh_modify	every 1 delay 1 check yes

fix		1 all nve
timestep        0.00020

thermo_style	custom step temp etotal pe evdwl ecoul press vol lx ly lz xz
thermo_modify	norm yes
velocity	all create 10.1 2398378
thermo	  	1

#dump		1 all cfg 10 *.cfg id type xs ys zs q vx vy vz fx fy fz
#dump_modify	1 append yes element Si

#dump		2 all image 10 image.*.jpg element element #		axes yes 0.8 0.02 view 60 -30
#dump_modify	2 pad 2 element Si

#dump		3 all movie 10 movie.mpg element element #		axes yes 0.8 0.02 view 60 -30
#dump_modify	3 pad 2 element Si

run  		10
Neighbor list info ...
  update every 1 steps, delay 1 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 12.5
  ghost atom cutoff = 12.5
  binsize = 6.25, bins = 4 4 4
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair comb, perpetual
      attributes: full, newton on
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 6.99 | 6.99 | 6.99 Mbytes
Step Temp TotEng PotEng E_vdwl E_coul Press Volume Lx Ly Lz Xz 
       0         10.1   -4.6284152   -4.6297182   -4.6297182            0    1140.7851    10246.592        21.72        21.72        21.72            0 
       1    10.097841   -4.6284152   -4.6297179   -4.6297179            0    1140.8134    10246.592        21.72        21.72        21.72            0 
       2    10.091367   -4.6284152   -4.6297171   -4.6297171            0    1140.8983    10246.592        21.72        21.72        21.72            0 
       3    10.080586   -4.6284152   -4.6297157   -4.6297157            0    1141.0397    10246.592        21.72        21.72        21.72            0 
       4    10.065511   -4.6284152   -4.6297137   -4.6297137            0    1141.2373    10246.592        21.72        21.72        21.72            0 
       5    10.046161   -4.6284152   -4.6297112   -4.6297112            0    1141.4909    10246.592        21.72        21.72        21.72            0 
       6     10.02256   -4.6284152   -4.6297082   -4.6297082            0    1141.8001    10246.592        21.72        21.72        21.72            0 
       7    9.9947353   -4.6284152   -4.6297046   -4.6297046            0    1142.1645    10246.592        21.72        21.72        21.72            0 
       8    9.9627224   -4.6284152   -4.6297005   -4.6297005            0    1142.5835    10246.592        21.72        21.72        21.72            0 
       9    9.9265602   -4.6284152   -4.6296958   -4.6296958            0    1143.0565    10246.592        21.72        21.72        21.72            0 
      10    9.8862927   -4.6284152   -4.6296906   -4.6296906            0    1143.5829    10246.592        21.72        21.72        21.72            0 
Loop time of 0.0424338 on 4 procs for 10 steps with 512 atoms

Performance: 4.072 ns/day, 5.894 hours/ns, 235.661 timesteps/s
93.9% CPU use with 4 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0.034115   | 0.035889   | 0.040149   |   1.3 | 84.58
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.0015998  | 0.0058764  | 0.0076761  |   3.2 | 13.85
Output  | 0.00023532 | 0.00029427 | 0.00042939 |   0.0 |  0.69
Modify  | 2.7418e-05 | 2.9385e-05 | 3.1948e-05 |   0.0 |  0.07
Other   |            | 0.0003446  |            |       |  0.81

Nlocal:    128 ave 128 max 128 min
Histogram: 4 0 0 0 0 0 0 0 0 0
Nghost:    3073 ave 3073 max 3073 min
Histogram: 4 0 0 0 0 0 0 0 0 0
Neighs:    0 ave 0 max 0 min
Histogram: 4 0 0 0 0 0 0 0 0 0
FullNghs:  53248 ave 53248 max 53248 min
Histogram: 4 0 0 0 0 0 0 0 0 0

Total # of neighbors = 212992
Ave neighs/atom = 416
Neighbor list builds = 0
Dangerous builds = 0
Total wall time: 0:00:00
